SCHEMBL17997752

SCHEMBL17997752

Cc1cc(N)cc(C)c1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.41
PTPRB P23467 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LCK P06239 1/20 0.40
PDE10A Q9Y233 1/20 0.37
CISD2 Q8N5K1 1/20 0.36
TSHR P16473 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3600382 0.84 HPGD (0.51) LMNAALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL2094230 0.81 ALDH1A1 (0.65) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL18600164 0.81 HPGD (0.44) LMNAALDH1A1CYP1A2KDM4EHPGD
SCHEMBL14263863 0.79 TSHR (0.57) LMNAALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL19857150 0.79 CYTH2 (0.48) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL18007630 0.77 ALDH1A1 (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL30487417 0.77 ALDH1A1 (0.54) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL5149570 0.77 ALDH1A1 (0.53) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL11715963 0.77 NLRP3 (0.59) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14972603 0.77 PKM (0.56) LMNAALDH1A1MAPTCYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643294-B1 AN IMPROVED RILPIVIRINE PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2016-08-24 EP disclosed